Linked Life Data

canonicalSMILES

Source:http://linkedlifedata.com/resource/chembl/compound/canonicalSMILES

Statements in which the resource exists.
SubjectPredicateObjectContext
chemicalCompound:695117chemicalCompound:canonicalS...Flld:chembl
chemicalCompound:308051chemicalCompound:canonicalS...[F-]lld:chembl
chemicalCompound:426045chemicalCompound:canonicalS...[F-].[Na+]lld:chembl
chemicalCompound:618164chemicalCompound:canonicalS...[F-].CCCC[N+](CCCC)(CCCC)CCCClld:chembl
chemicalCompound:1058772chemicalCompound:canonicalS...[F-].[K+]lld:chembl
chemicalCompound:694171chemicalCompound:canonicalS...Cllld:chembl
chemicalCompound:308052chemicalCompound:canonicalS...[Cl-]lld:chembl
chemicalCompound:674525chemicalCompound:canonicalS...[Na+].[Cl-]lld:chembl
chemicalCompound:674682chemicalCompound:canonicalS...[Cl-].[K+]lld:chembl
chemicalCompound:181856chemicalCompound:canonicalS...[Li+].[Cl-]lld:chembl
chemicalCompound:674504chemicalCompound:canonicalS...Cl[Cu]Cllld:chembl
chemicalCompound:840903chemicalCompound:canonicalS...Cl.Cl.OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12lld:chembl
chemicalCompound:674710chemicalCompound:canonicalS...Cl.Clc1ccc2N=C3NC(=O)CN3Cc2c1Cllld:chembl
chemicalCompound:674952chemicalCompound:canonicalS...Cl.CN(CCCl)CCCllld:chembl
chemicalCompound:1217580chemicalCompound:canonicalS...Cl.Cc1cccc(C)c1NC(=O)CNlld:chembl
chemicalCompound:1027418chemicalCompound:canonicalS...Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)Clld:chembl
chemicalCompound:89357chemicalCompound:canonicalS...Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1Cllld:chembl
chemicalCompound:754613chemicalCompound:canonicalS...Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1lld:chembl
chemicalCompound:543263chemicalCompound:canonicalS...Cl.NNc1nncc2ccccc12lld:chembl
chemicalCompound:674903chemicalCompound:canonicalS...Cl.CN[C@@H](C)Cc1ccccc1lld:chembl
chemicalCompound:543306chemicalCompound:canonicalS...Cl.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1lld:chembl
chemicalCompound:706089chemicalCompound:canonicalS...Cl.CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12lld:chembl
chemicalCompound:704758chemicalCompound:canonicalS...Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1Olld:chembl
chemicalCompound:545974chemicalCompound:canonicalS...Cl.CC12CC3CC(C)(C1)CC(N)(C3)C2lld:chembl
chemicalCompound:486806chemicalCompound:canonicalS...Cl.CN(C)Clld:chembl
chemicalCompound:618094chemicalCompound:canonicalS...[Cl-].CCCC[N+](CCCC)(CCCC)CCCClld:chembl
chemicalCompound:583941chemicalCompound:canonicalS...[Cl-].Nc1ccc2nc3ccc(N)cc3[s+]c2c1lld:chembl
chemicalCompound:1236378chemicalCompound:canonicalS...[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)Clld:chembl
chemicalCompound:33341chemicalCompound:canonicalS...[Cl-].C[N+](C)(C)CCOlld:chembl
chemicalCompound:167875chemicalCompound:canonicalS...[Cl-].CC[N+](C)(C)c1cccc(O)c1lld:chembl
chemicalCompound:101810chemicalCompound:canonicalS...[Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)Clld:chembl
chemicalCompound:693811chemicalCompound:canonicalS...Brlld:chembl
chemicalCompound:308053chemicalCompound:canonicalS...[Br-]lld:chembl
chemicalCompound:705878chemicalCompound:canonicalS...Br.Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1Olld:chembl
chemicalCompound:914759chemicalCompound:canonicalS...Br.Br.NC(=N)SCCc1c[nH]cn1lld:chembl
chemicalCompound:88038chemicalCompound:canonicalS...[Br-].CCCC[N+](CCCC)(CCCC)CCCClld:chembl
chemicalCompound:107931chemicalCompound:canonicalS...[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)Clld:chembl
chemicalCompound:851548chemicalCompound:canonicalS...[Br-].CC(=O)OCC[N+](C)(C)Clld:chembl
chemicalCompound:246954chemicalCompound:canonicalS...[Br-].CCCCCCCC[N+](C)(C)Clld:chembl
chemicalCompound:195756chemicalCompound:canonicalS...[Br-].CCCCCCCCCC[N+](C)(C)Clld:chembl
chemicalCompound:182662chemicalCompound:canonicalS...[Br-].CCCCCCCCCCCC[N+](C)(C)Clld:chembl
chemicalCompound:79557chemicalCompound:canonicalS...[Br-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)Clld:chembl
chemicalCompound:1059667chemicalCompound:canonicalS...[Na+].[Br-]lld:chembl
chemicalCompound:695900chemicalCompound:canonicalS...Illd:chembl
chemicalCompound:308054chemicalCompound:canonicalS...[I-]lld:chembl
chemicalCompound:1059668chemicalCompound:canonicalS...[Na+].[I-]lld:chembl
chemicalCompound:674318chemicalCompound:canonicalS...[I-].CCOP(=O)(OCC)SCC[N+](C)(C)Clld:chembl
chemicalCompound:62687chemicalCompound:canonicalS...Clld:chembl
chemicalCompound:293569chemicalCompound:canonicalS...[Na+].[O-]C(=O)CFlld:chembl
chemicalCompound:674881chemicalCompound:canonicalS...[Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1Clld:chembl
chemicalCompound:1058776chemicalCompound:canonicalS...[Na+].[S-]C#Nlld:chembl
chemicalCompound:674359chemicalCompound:canonicalS...[Na+].COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OClld:chembl
chemicalCompound:1078497chemicalCompound:canonicalS...[Na+].Cc1ccc(cc1)S(=O)(=O)[N-]Cllld:chembl
chemicalCompound:38588chemicalCompound:canonicalS...[Na+].CCC#CC(C)C1(CC=C)C(=O)N=C([O-])N(C)C1=Olld:chembl
chemicalCompound:1103972chemicalCompound:canonicalS...O.[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1lld:chembl
chemicalCompound:674367chemicalCompound:canonicalS...[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1lld:chembl
chemicalCompound:178547chemicalCompound:canonicalS...[Na+].[N-]=[N+]=[N-]lld:chembl
chemicalCompound:983152chemicalCompound:canonicalS...[Na+].[O-]Cl(=O)=Olld:chembl
chemicalCompound:1058780chemicalCompound:canonicalS...[K+].[Br-]lld:chembl
chemicalCompound:178545chemicalCompound:canonicalS...[K+].[I-]lld:chembl
chemicalCompound:693216chemicalCompound:canonicalS...[Ag+]lld:chembl
chemicalCompound:642358chemicalCompound:canonicalS...Nlld:chembl
chemicalCompound:674690chemicalCompound:canonicalS...Slld:chembl
chemicalCompound:49038chemicalCompound:canonicalS...[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1lld:chembl
chemicalCompound:624125chemicalCompound:canonicalS...COC(=O)CCC(=O)CNlld:chembl
chemicalCompound:112419chemicalCompound:canonicalS...[O-]C(=O)c1cccc(c1)[N+]#Nlld:chembl
chemicalCompound:1122132chemicalCompound:canonicalS...[O-]ON=Olld:chembl
chemicalCompound:112420chemicalCompound:canonicalS...[O-]S(=O)(=O)c1cccc(c1)[N+]#Nlld:chembl
chemicalCompound:112460chemicalCompound:canonicalS...[O-]S(=O)(=O)c1ccc(cc1)[N+]#Nlld:chembl
chemicalCompound:348351chemicalCompound:canonicalS...[N-]=[N+]=[N-]lld:chembl
chemicalCompound:63019chemicalCompound:canonicalS...CNlld:chembl
chemicalCompound:240352chemicalCompound:canonicalS...CNOlld:chembl
chemicalCompound:303351chemicalCompound:canonicalS...F[Al-3](F)(F)(F)(F)Flld:chembl
chemicalCompound:303239chemicalCompound:canonicalS...F[Fe-3](F)(F)(F)(F)Flld:chembl
chemicalCompound:665311chemicalCompound:canonicalS...NOlld:chembl
chemicalCompound:627419chemicalCompound:canonicalS...Olld:chembl
chemicalCompound:13617chemicalCompound:canonicalS...COlld:chembl
chemicalCompound:195974chemicalCompound:canonicalS...[Cl-].CC(=O)OCC[N+](C)(C)Clld:chembl
chemicalCompound:653954chemicalCompound:canonicalS...CCCCCCCCCCCC[N+](C)(C)Clld:chembl
chemicalCompound:65961chemicalCompound:canonicalS...C[N+](C)(C)Clld:chembl
chemicalCompound:5467chemicalCompound:canonicalS...CC[N+](CC)(CC)CClld:chembl
chemicalCompound:171469chemicalCompound:canonicalS...CC(O)C[N+](C)(C)Clld:chembl
chemicalCompound:83143chemicalCompound:canonicalS...C[N+](C)(C)CCOlld:chembl
chemicalCompound:33060chemicalCompound:canonicalS...C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)Clld:chembl
chemicalCompound:27812chemicalCompound:canonicalS...CC(=O)OCC[N+](C)(C)Clld:chembl
chemicalCompound:675292chemicalCompound:canonicalS...CCOP(=O)(OCC)SCC[N+](C)(C)Clld:chembl
chemicalCompound:68251chemicalCompound:canonicalS...C[N+](C)(C)CC#CCN1CCCC1=Olld:chembl
chemicalCompound:203048chemicalCompound:canonicalS...C[N+](C)(C)CCCCCCCCCC[N+](C)(C)Clld:chembl
chemicalCompound:698546chemicalCompound:canonicalS...CCCC[N+](CCCC)(CCCC)CCCClld:chembl
chemicalCompound:657555chemicalCompound:canonicalS...CCCCCCCCCCCCCCCC[N+](C)(C)Clld:chembl
chemicalCompound:171685chemicalCompound:canonicalS...CC[N+](C)(C)Clld:chembl
chemicalCompound:654929chemicalCompound:canonicalS...CCCCCCCC[N+](C)(C)Clld:chembl
chemicalCompound:654251chemicalCompound:canonicalS...CCCCCCCCCC[N+](C)(C)Clld:chembl
chemicalCompound:673030chemicalCompound:canonicalS...CC[N+](C)(C)Cc1ccccc1Brlld:chembl
chemicalCompound:227279chemicalCompound:canonicalS...CC(=O)CCC[N+](C)(C)Clld:chembl
chemicalCompound:151408chemicalCompound:canonicalS...CC[N+](C)(C)c1cccc(O)c1lld:chembl
chemicalCompound:114108chemicalCompound:canonicalS...CCCCCCCCCCCCCCCC[n+]1ccccc1lld:chembl
chemicalCompound:247401chemicalCompound:canonicalS...C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1lld:chembl
chemicalCompound:659062chemicalCompound:canonicalS...CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CClld:chembl
chemicalCompound:652160chemicalCompound:canonicalS...Nc1ccc2nc3ccc(N)cc3[s+]c2c1lld:chembl
chemicalCompound:171437chemicalCompound:canonicalS...C[S+](C)CCOlld:chembl
chemicalCompound:609979chemicalCompound:canonicalS...CC1(C)CCCC(C)(C)N1[O]lld:chembl
chemicalCompound:674747chemicalCompound:canonicalS...O.ClCCN(CCCl)P1(=O)NCCCO1lld:chembl
chemicalCompound:191204chemicalCompound:canonicalS...Sc1ccccc1lld:chembl
chemicalCompound:182886chemicalCompound:canonicalS...Sc1nc2ccccc2s1lld:chembl
chemicalCompound:1077152chemicalCompound:canonicalS...Sc1ncccn1lld:chembl
chemicalCompound:697891chemicalCompound:canonicalS...Sc1ccccn1lld:chembl
chemicalCompound:694194chemicalCompound:canonicalS...COC(=O)[C@@H](N)CSlld:chembl
chemicalCompound:21036chemicalCompound:canonicalS...NCCSlld:chembl
chemicalCompound:664223chemicalCompound:canonicalS...CC(=O)SCCNlld:chembl
chemicalCompound:424815chemicalCompound:canonicalS...OCCSlld:chembl
chemicalCompound:33366chemicalCompound:canonicalS...CSCCOlld:chembl
chemicalCompound:1237727chemicalCompound:canonicalS...CC(C)Slld:chembl
chemicalCompound:1239376chemicalCompound:canonicalS...CCSCCSP(=O)(OC)OClld:chembl
chemicalCompound:483893chemicalCompound:canonicalS...CCOP(=S)(OCC)SCSCClld:chembl
chemicalCompound:1047718chemicalCompound:canonicalS...OS(=O)(=O)CC(S)CSlld:chembl
chemicalCompound:454382chemicalCompound:canonicalS...OCC(S)CSlld:chembl
chemicalCompound:704816chemicalCompound:canonicalS...CN(C)C(=O)N=NC(=O)N(C)Clld:chembl
chemicalCompound:762784chemicalCompound:canonicalS...CN(C)C(=O)N=NC(=O)N(C)Clld:chembl
chemicalCompound:783397chemicalCompound:canonicalS...CN(C)C(=O)N=NC(=O)N(C)Clld:chembl
chemicalCompound:543chemicalCompound:canonicalS...CC(N)Cc1ccccc1lld:chembl
chemicalCompound:23199chemicalCompound:canonicalS...C[C@H](N)Cc1ccccc1lld:chembl
chemicalCompound:675152chemicalCompound:canonicalS...CN[C@@H](C)Cc1ccccc1lld:chembl
chemicalCompound:23198chemicalCompound:canonicalS...C[C@@H](N)Cc1ccccc1lld:chembl
chemicalCompound:436chemicalCompound:canonicalS...COc1cc(CC(C)N)c(OC)cc1Illd:chembl
chemicalCompound:66613chemicalCompound:canonicalS...CNC(C)Cc1ccc2OCOc2c1lld:chembl
chemicalCompound:23056chemicalCompound:canonicalS...NCCc1ccccc1lld:chembl
chemicalCompound:36995chemicalCompound:canonicalS...COc1ccc(CCN)cc1OClld:chembl
chemicalCompound:166039chemicalCompound:canonicalS...COc1ccc(CCN)cc1lld:chembl
chemicalCompound:11694chemicalCompound:canonicalS...NCc1ccccc1lld:chembl
chemicalCompound:285747chemicalCompound:canonicalS...CNc1ccccc1lld:chembl
chemicalCompound:190174chemicalCompound:canonicalS...CC(C)Nlld:chembl
chemicalCompound:16810chemicalCompound:canonicalS...CN(C)Clld:chembl
chemicalCompound:13396chemicalCompound:canonicalS...CCCNlld:chembl
chemicalCompound:13397chemicalCompound:canonicalS...CCNlld:chembl
chemicalCompound:27647chemicalCompound:canonicalS...NC12CC3CC(CC(C3)C1)C2lld:chembl
chemicalCompound:1158093chemicalCompound:canonicalS...NC1CCCCC1lld:chembl
chemicalCompound:13361chemicalCompound:canonicalS...CCCCNlld:chembl
chemicalCompound:13395chemicalCompound:canonicalS...CC(C)(C)Nlld:chembl
chemicalCompound:83540chemicalCompound:canonicalS...CCCCCCCCCCCCCCCCCCNlld:chembl
chemicalCompound:52523chemicalCompound:canonicalS...CC12CC3CC(C)(C1)CC(N)(C3)C2lld:chembl
chemicalCompound:22324chemicalCompound:canonicalS...CC(N)c1ccccc1lld:chembl
chemicalCompound:23058chemicalCompound:canonicalS...C[C@H](N)c1ccccc1lld:chembl
chemicalCompound:22882chemicalCompound:canonicalS...C[C@@H](N)c1ccccc1lld:chembl
chemicalCompound:28609chemicalCompound:canonicalS...Nc1ccc2ccccc2c1lld:chembl
chemicalCompound:90130chemicalCompound:canonicalS...Nc1cccc2ccccc12lld:chembl
chemicalCompound:134097chemicalCompound:canonicalS...ONc1cccc2ccccc12lld:chembl
chemicalCompound:13338chemicalCompound:canonicalS...Nc1ccccc1lld:chembl
chemicalCompound:134383chemicalCompound:canonicalS...Nc1ccc2cc3ccccc3cc2c1lld:chembl
chemicalCompound:134221chemicalCompound:canonicalS...Nc1cccc2cc3ccccc3cc12lld:chembl
chemicalCompound:1158449chemicalCompound:canonicalS...Cc1cc(N)c(C)cc1Nlld:chembl
chemicalCompound:90253chemicalCompound:canonicalS...Nc1cccc(F)c1lld:chembl
chemicalCompound:322230chemicalCompound:canonicalS...Nc1ccccc1Flld:chembl
chemicalCompound:42402chemicalCompound:canonicalS...Nc1ccc(F)cc1lld:chembl
chemicalCompound:914710chemicalCompound:canonicalS...Cc1ccc(N)c(C)c1lld:chembl
chemicalCompound:692389chemicalCompound:canonicalS...Cc1ccc(N)cc1Clld:chembl
chemicalCompound:764677chemicalCompound:canonicalS...Cc1cccc(C)c1Nlld:chembl
chemicalCompound:418305chemicalCompound:canonicalS...Cc1ccc(C)c(N)c1lld:chembl
chemicalCompound:74690chemicalCompound:canonicalS...CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1lld:chembl
chemicalCompound:820024chemicalCompound:canonicalS...CC(C)(C)NC[C@H](O)c1cc(Cl)c(N)c(Cl)c1lld:chembl
chemicalCompound:453532chemicalCompound:canonicalS...CC(C)(N)Cc1ccccc1lld:chembl
chemicalCompound:89669chemicalCompound:canonicalS...COc1cc(CCN)c(OC)cc1Brlld:chembl
chemicalCompound:150586chemicalCompound:canonicalS...[O-][N+](=O)c1ccc(Nc2ccc(cc2)N=C=S)cc1lld:chembl
chemicalCompound:581704chemicalCompound:canonicalS...Nc1ccc(Nc2ccccc2)cc1lld:chembl
chemicalCompound:1370chemicalCompound:canonicalS...CC(C)NCC(O)COc1cccc2ccccc12lld:chembl
chemicalCompound:10099chemicalCompound:canonicalS...CC(C)NC[C@@H](O)COc1cccc2ccccc12lld:chembl
chemicalCompound:8543chemicalCompound:canonicalS...CC(C)NCC(O)COc1cccc2[nH]ccc12lld:chembl
chemicalCompound:954517chemicalCompound:canonicalS...CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12lld:chembl
chemicalCompound:190074chemicalCompound:canonicalS...CC(C)NC[C@H](O)COc1cccc2[nH]ccc12lld:chembl
chemicalCompound:675161chemicalCompound:canonicalS...CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1lld:chembl
chemicalCompound:454076chemicalCompound:canonicalS...CN[C@@H](C)[C@@H](O)c1ccccc1lld:chembl
chemicalCompound:27417chemicalCompound:canonicalS...CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1lld:chembl
chemicalCompound:43354chemicalCompound:canonicalS...COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1lld:chembl
chemicalCompound:75752chemicalCompound:canonicalS...C#CCN[C@@H]1CCc2ccccc12lld:chembl
chemicalCompound:16444chemicalCompound:canonicalS...C1CCNCC1lld:chembl
chemicalCompound:321600chemicalCompound:canonicalS...CN(C)c1ccccc1lld:chembl
chemicalCompound:993377chemicalCompound:canonicalS...CN(C)c1ccc(cc1)N=Olld:chembl
chemicalCompound:1218229chemicalCompound:canonicalS...CCCCN(CCCC)CCCClld:chembl
chemicalCompound:47601chemicalCompound:canonicalS...CCN(CC)CClld:chembl
chemicalCompound:460417chemicalCompound:canonicalS...OCCN(CCO)CCOlld:chembl
chemicalCompound:195686chemicalCompound:canonicalS...CCN(CC)CCOlld:chembl
chemicalCompound:16581chemicalCompound:canonicalS...CCN(CC)CCOC(=O)c1ccc(N)cc1lld:chembl
chemicalCompound:209594chemicalCompound:canonicalS...CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CClld:chembl
chemicalCompound:652997chemicalCompound:canonicalS...CCN(CC)CCOC(=O)c1ccc(N)cc1Cllld:chembl
chemicalCompound:4652chemicalCompound:canonicalS...CC(Cc1ccccc1)N(C)CC#Clld:chembl
chemicalCompound:96021chemicalCompound:canonicalS...C[C@H](Cc1ccccc1)N(C)CC#Clld:chembl
chemicalCompound:583530chemicalCompound:canonicalS...COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1lld:chembl
chemicalCompound:19316chemicalCompound:canonicalS...CCCN(CCC)CCc1cccc2NC(=O)Cc12lld:chembl
chemicalCompound:1044766chemicalCompound:canonicalS...COc1cc2C[C@@H]3N(C)[C@@H](Cc4cc5OCOc5cc34)c2cc1OClld:chembl
chemicalCompound:1219chemicalCompound:canonicalS...COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OClld:chembl
chemicalCompound:171436chemicalCompound:canonicalS...CN(C)CCOlld:chembl
chemicalCompound:420985chemicalCompound:canonicalS...CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12lld:chembl
chemicalCompound:403442chemicalCompound:canonicalS...CCN(CC)CCOc1cccc(OCCN(CC)CC)c1OCCN(CC)CClld:chembl
chemicalCompound:90941chemicalCompound:canonicalS...CN1CCCc2ccccc12lld:chembl
chemicalCompound:147956chemicalCompound:canonicalS...CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1lld:chembl
chemicalCompound:668616chemicalCompound:canonicalS...CCN(CC)C(C)C(=O)c1ccccc1lld:chembl
chemicalCompound:9989chemicalCompound:canonicalS...CN(C)CCc1c[nH]c2ccc(O)cc12lld:chembl
chemicalCompound:2232chemicalCompound:canonicalS...COc1ccc2[nH]cc(CCN(C)C)c2c1lld:chembl
chemicalCompound:174802chemicalCompound:canonicalS...ONc1ccccc1lld:chembl
chemicalCompound:47819chemicalCompound:canonicalS...CN(C)c1ccc(N)cc1lld:chembl
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